HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methyl-2H-indazole-3-carboxylic acid
Granisetron ImpurityCl · Granisetron EP impurity G · 3-Carboxy-2-methyl-2H-indazole · 2-Methylindazole-3-carboxylicAci · 2-Methylindazole-3-carboxylic acid · 2-Methyl-2H-indazole-3-carboxylic A · Granisetron Hydrochloride Impurity G · 2-METHYL-2H-INDAZOLE-3-CARBOXYLIC ACID
Identifiers & Physical Properties
| CAS No. | 34252-44-3 |
|---|---|
| Molecular formula | C9H8N2O2 |
| Average molar mass | 176.17 g/mol |
| Monoisotopic mass | 176.0585775 g/mol |
| SMILES | Cn1nc2ccccc2c1C(=O)O |
| InChIKey | ABRISPFTOZIXMP-UHFFFAOYSA-N |
| PubChem CID | 7060537 |
| EC No. | 691-338-3 |
| DTXSID | DTXSID30427620 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 55.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 220 |
| Melting point | 217-219 |
| Boiling point | 417.4±18.0 °C(Predicted) |
| Density | 1.35 |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 3.02±0.10(Predicted) |
| Color | White to Off-White |
| FDA UNII | 7F74Q4NXW7 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Hazard symbols | Xn |
| Risk statements (R) | 22-36-36/37/38-20/21/22 |
| Safety statements (S) | 26-36/37/39-22 |
| UN transport number | 2811 |
| Hazard Note | Harmful |
| Customs code | 29339900 |
Safety & Regulations
| GHS classification | DangerH301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (33.3%) |
| UN transport number | 2811 |
| Customs code | 29339900 |
| Risk statements (R) | 22-36-36/37/38-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| hazard_note | Harmful |
| Safety statements (S) | 26-36/37/39-22 |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
2-Methyl-2H-indazole-3-carboxylic acid can be used as a reagent used to synthesize 5-HT2A and 5-HT3 receptor ligands for use in treating CNS-related disorders.